CHEBI:70954 - N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:70954
ChEBI ASCII Name N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Definition An N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 28 carbons and 0 double bonds and is 2-hydroxylated.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C50H101N2O7P
Net Charge 0
Average Mass 873.31990
Monoisotopic Mass 872.73464
InChI InChI=1S/C50H101N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-33-36-39-42-49(54)50(55)51-47(45-59-60(56,57)58-44-43-52(4,5)6)48(53)41-38-35-32-30-27-28-31-34-37-40-46(2)3/h38,41,46-49,53-54H,7-37,39-40,42-45H2,1-6H3,(H-,51,55,56,57)/b41-38+/t47-,48+,49?/m0/s1
InChIKey MMXDHXXKUJLSPP-YZIFOBIISA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCC(C)C
ChEBI Ontology
Outgoing N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70954) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70954) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
Last Modified
22 November 2012